Crystallography Open Database

Information card for entry 7716991

Preview

Coordinates	7716991.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H40 I8 Mo6 N24 O12
Calculated formula	C30 H40 I8 Mo6 N24 O12
Title of publication	Octahedral molybdenum iodide clusters with pyrazole or pyrazolate ligands.
Authors of publication	Kozlova, Ksenia S.; Berezin, Alexey S.; Kuratieva, Natalia V.; Shestopalov, Michael A.; Ivanov, Anton A.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	38
Pages of publication	15959 - 15967
a	11.0559 ± 0.0003 Å
b	11.5527 ± 0.0003 Å
c	24.1189 ± 0.0006 Å
α	90°
β	101.34 ± 0.001°
γ	90°
Cell volume	3020.46 ± 0.14 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150.15 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0505
Residual factor for significantly intense reflections	0.0306
Weighted residual factors for significantly intense reflections	0.0586
Weighted residual factors for all reflections included in the refinement	0.0617
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
295282 (current)	2024-10-06	cif/ Updating files of 7716988, 7716989, 7716990, 7716991 Original log message: Adding full bibliography for 7716988--7716991.cif.	7716991.cif
294707	2024-09-11	cif/ Adding structures of 7716988, 7716989, 7716990, 7716991 via cif-deposit CGI script.	7716991.cif